(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one

C20H29N3O5Si — CID 23928255

About (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one

(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one (PubChem CID 23928255) has the molecular formula C20H29N3O5Si and a molecular weight of 419.55 g/mol. Its IUPAC name is (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one
• PubChem CID: 23928255
• Molecular Formula: C20H29N3O5Si
• Molecular Weight: 419.55 g/mol
• Exact Mass: 419.19
• IUPAC Name: (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one
• SMILES: C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CCO)O[C@]12C(=O)Nc1ccc(N3CCNCC3=O)cc12
• InChI: InChI=1S/C20H29N3O5Si/c1-12-18(29(2,3)27)16(6-9-24)28-20(12)14-10-13(4-5-15(14)22-19(20)26)23-8-7-21-11-17(23)25/h4-5,10,12,16,18,21,24,27H,6-9,11H2,1-3H3,(H,22,26)/t12-,16+,18-,20+/m0/s1
• InChIKey: LLVZRYBMDUQMSN-GPZWCRHOSA-N
• XLogP: 0.76
• TPSA: 111.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.55
LogP ≤ 5	0.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

The IUPAC name of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one (CID 23928255) is (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one is C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CCO)O[C@]12C(=O)Nc1ccc(N3CCNCC3=O)cc12.

What is the InChIKey of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

The InChIKey is LLVZRYBMDUQMSN-GPZWCRHOSA-N. The full InChI is InChI=1S/C20H29N3O5Si/c1-12-18(29(2,3)27)16(6-9-24)28-20(12)14-10-13(4-5-15(14)22-19(20)26)23-8-7-21-11-17(23)25/h4-5,10,12,16,18,21,24,27H,6-9,11H2,1-3H3,(H,22,26)/t12-,16+,18-,20+/m0/s1.

What are the key properties of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one has a molecular weight of 419.55 g/mol, XLogP of 0.76, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23928255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).